N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4O5S2/c1-3-13-29-24(31)19-9-5-6-10-20(19)27-25(29)35-17-23(30)26-18-11-12-21(34-2)22(16-18)36(32,33)28-14-7-4-8-15-28/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,26,30)